SCHEMBL11804399

SCHEMBL11804399

O=C(CCCC(=O)Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
ELANE P08246 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
LIPE Q05469 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10502576 0.96 KMT2A (0.61) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL643983 0.91 KMT2A (0.63) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL189948 0.90 KMT2A (0.56) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL6344321 0.89 KMT2A (0.55) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL9179647 0.89 KMT2A (0.55) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL8676315 0.87 KMT2A (0.57) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL25217772 0.86 KMT2A (0.56) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL6405253 0.86 KMT2A (0.59) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL951698 0.86 KMT2A (0.59) KMT2ATDP1MAPTALDH1A1HSD17B10
SCHEMBL11295378 0.86 KMT2A (0.59) KMT2ATDP1MAPTALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444005-B Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin 四川大学 2023-03-03 CN disclosed
CN-113444005-A Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin 四川大学 2021-09-28 CN disclosed
CN-111254134-B Nitrile hydrolase mutant and application thereof in (S) -mononitrile monoacid synthesis 中国科学院天津工业生物技术研究所 2021-09-07 CN disclosed
CN-111254134-A Nitrile hydrolase mutant and application thereof in (S) -mononitrile monoacid synthesis 中国科学院天津工业生物技术研究所 2020-06-09 CN disclosed
CN-110698338-A Preparation method of 3- (4-chlorobenzene) glutaric acid 广西奕安泰药业有限公司 2020-01-17 CN disclosed
CN-104592259-B A kind of Zn (II) coordination polymer and preparation method thereof 宿州学院 2016-09-14 CN disclosed
US-3956402-A MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed